Principles of Lipschitz continuity in neural networks
University of Galway（高威大学）；Research Ireland（爱尔兰研究中心）；Irish National Centre for Research Training in AI（爱尔兰国家人工智能研究培训中心）；School of Computer Science（计算机学院）
Deep learning has achieved remarkable success across a wide range of domains, significantly expanding the frontiers of what is achievable in artificial intelligence. Yet, despite these advances, critical challenges remain -- most notably, ensuring robustness to small input perturbations and generalization to out-of-distribution data. These critical challenges underscore the need to understand the underlying fundamental principles that govern robustness and generalization. Among the theoretical tools available, Lipschitz continuity plays a pivotal role in governing the fundamental properties of neural networks related to robustness and generalization. It quantifies the worst-case sensitivity of network's outputs to small input perturbations. While its importance is widely acknowledged, prior research has predominantly focused on empirical regularization approaches based on Lipschitz constraints, leaving the underlying principles less explored. This thesis seeks to advance a principled understanding of the principles of Lipschitz continuity in neural networks within the paradigm of machine learning, examined from two complementary perspectives: an internal perspective -- focusing on the temporal evolution of Lipschitz continuity in neural networks during training (i.e., training dynamics); and an external perspective -- investigating how Lipschitz continuity modulates the behavior of neural networks with respect to features in the input data, particularly its role in governing frequency signal propagation (i.e., modulation of frequency signal propagation).
Optimization-Induced Dynamics of Lipschitz Continuity in Neural Networks
University of Galway（Galway大学）；Irish National Centre for Research Training in AI (CRT-AI)（爱尔兰人工智能研究培训中心）；Université Laval（拉瓦尔大学）；Canada-CIFAR AI Chair（加拿大CIFAR人工智能 chair）；Mila - Québec AI Institute（魁北克人工智能研究所）；University of Toronto（多伦多大学）；MBZUAI, UAE（阿联酋MBZUAI）
University of Oxford（牛津大学）；Oxford-Man Institute（牛津-曼学院）
It is desirable, and often a necessity, for machine learning models to be robust against adversarial attacks. This is particularly true for Bayesian models, as they are well-suited for safety-critical applications, in which adversarial attacks can have catastrophic outcomes. In this work, we take a deeper look at the adversarial robustness of Bayesian Neural Networks (BNNs). In particular, we consider whether the adversarial robustness of a BNN can be increased by model choices, particularly the Lipschitz continuity induced by the prior. Conducting in-depth analysis on the case of i.i.d., zero…
On the Lipschitz Continuity of Set Aggregation Functions and Neural Networks for Sets
Department of Informatics and Telecommunications University of Peloponnese（信息与通信技术系希腊皮洛斯大学）；Department of Computer Science & Engineering University of Ioannina（计算机科学与工程系伊奥尼亚大学）
We examine the impact of learning Lipschitz continuous models in the context of model-based reinforcement learning. We provide a novel bound on multi-step prediction error of Lipschitz models where we quantify the error using the Wasserstein metric. We go on to prove an error bound for the value-function estimate arising from Lipschitz models and show that the estimated value function is itself Lipschitz. We conclude with empirical results that show the benefits of controlling the Lipschitz constant of neural-network models.
Lipschitz continuity recently becomes popular in generative adversarial networks (GANs). It was observed that the Lipschitz regularized discriminator leads to improved training stability and sample quality. The mainstream implementations of Lipschitz continuity include gradient penalty and spectral normalization. In this paper, we demonstrate that gradient penalty introduces undesired bias, while spectral normalization might be over restrictive. We accordingly propose a new method which is efficient and unbiased. Our experiments verify our analysis and show that the proposed method is able to …
Lipschitz Continuity in Deep Learning: A Systematic Review of Theoretical Foundations, Estimation Methods, Regularization Approaches, and Certifiable Robustness
Research Ireland – Centre for Research Training in AI (CRT-AI)（爱尔兰研究机构——人工智能研究培训中心（CRT-AI））；J.E. Cairnes School of Business & Economics（J.E. Cairnes 商学院）；School of Computer Science（计算机科学学院）；University of Galway, Ireland（爱尔兰Galway大学）
In binary classification and regression problems, it is well understood that Lipschitz continuity and smoothness of the loss function play key roles in governing generalization error bounds for empirical risk minimization algorithms. In this paper, we show how these two properties affect generalization error bounds in the learning to rank problem. The learning to rank problem involves vector valued predictions and therefore the choice of the norm with respect to which Lipschitz continuity and smoothness are defined becomes crucial. Choosing the $\ell_\infty$ norm in our definition of Lipschitz…
In this paper, we investigate the underlying factor that leads to failure and success in the training of GANs. We study the property of the optimal discriminative function and show that in many GANs, the gradient from the optimal discriminative function is not reliable, which turns out to be the fundamental cause of failure in training of GANs. We further demonstrate that a well-defined distance metric does not necessarily guarantee the convergence of GANs. Finally, we prove in this paper that Lipschitz-continuity condition is a general solution to make the gradient of the optimal discriminati…
University of Edinburgh（爱丁堡大学）；University of Waikato（怀卡托大学）
We investigate the effect of explicitly enforcing the Lipschitz continuity of neural networks with respect to their inputs. To this end, we provide a simple technique for computing an upper bound to the Lipschitz constant---for multiple $p$-norms---of a feed forward neural network composed of commonly used layer types. Our technique is then used to formulate training a neural network with a bounded Lipschitz constant as a constrained optimisation problem that can be solved using projected stochastic gradient methods. Our evaluation study shows that the performance of the resulting models excee…
Beyond Lipschitz: Data-Driven Robustness via Discrete Modulus of Continuity
Institute for Numerical Simulation（数值模拟研究所）；Dalle Molle Institute for Artificial Intelligence（人工智能研究所）；University of Bonn（波恩大学）；USI Lugano（卢加诺大学）；Germany（德国）；Switzerland（瑞士）
Illinois Institute of Technology（伊利诺伊理工学院）；Texas State University（德克萨斯州立大学）；Shandong University（山东大学）
Knowledge distillation has become one of the most important model compression techniques by distilling knowledge from larger teacher networks to smaller student ones. Although great success has been achieved by prior distillation methods via delicately designing various types of knowledge, they overlook the functional properties of neural networks, which makes the process of applying those techniques to new tasks unreliable and non-trivial. To alleviate such problem, in this paper, we initially leverage Lipschitz continuity to better represent the functional characteristic of neural networks a…
POSTECH（浦项科技大学）；University of Illinois at Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；University of Arizona（亚利桑那大学）
Structured stochastic multi-armed bandits provide accelerated regret rates over the standard unstructured bandit problems. Most structured bandits, however, assume the knowledge of the structural parameter such as Lipschitz continuity, which is often not available. To cope with the latent structural parameter, we consider a transfer learning setting in which an agent must learn to transfer the structural information from the prior tasks to the next task, which is inspired by practical problems such as rate adaptation in wireless link. We propose a novel framework to provably and accurately est…
University of British Columbia（不列颠哥伦比亚大学）；Amii（阿尔伯塔机器智能研究所）
In online convex optimization (OCO), Lipschitz continuity of the functions is commonly assumed in order to obtain sublinear regret. Moreover, many algorithms have only logarithmic regret when these functions are also strongly convex. Recently, researchers from convex optimization proposed the notions of "relative Lipschitz continuity" and "relative strong convexity". Both of the notions are generalizations of their classical counterparts. It has been shown that subgradient methods in the relative setting have performance analogous to their performance in the classical setting. In this work, we…
The University of Edinburgh（爱丁堡大学）；The Alan Turing Institute（艾伦·图灵研究所）；National Technical University of Athens（雅典国立技术大学）
In this article we consider sampling from log concave distributions in Hamiltonian setting, without assuming that the objective gradient is globally Lipschitz. We propose two algorithms based on monotone polygonal (tamed) Euler schemes, to sample from a target measure, and provide non-asymptotic 2-Wasserstein distance bounds between the law of the process of each algorithm and the target measure. Finally, we apply these results to bound the excess risk optimization error of the associated optimization problem.
Hanoi University of Science and Technology（河内科技大学）
Generative adversarial networks (GANs) are so complex that the existing learning theories do not provide a satisfactory explanation for why GANs have great success in practice. The same situation also remains largely open for deep neural networks. To fill this gap, we introduce a Lipschitz theory to analyze generalization. We demonstrate its simplicity by analyzing generalization and consistency of overparameterized neural networks. We then use this theory to derive Lipschitz-based generalization bounds for GANs. Our bounds show that penalizing the Lipschitz constant of the GAN loss can improv…
Illinois Institute of Technology（伊利诺伊理工学院）；Hong Kong University of Science and Technology（香港科技大学）；Texas State University（得克萨斯州立大学）；Harbin Institute of Technology, Shenzhen（哈尔滨工业大学（深圳））
Relying on the premise that the performance of a binary neural network can be largely restored with eliminated quantization error between full-precision weight vectors and their corresponding binary vectors, existing works of network binarization frequently adopt the idea of model robustness to reach the aforementioned objective. However, robustness remains to be an ill-defined concept without solid theoretical support. In this work, we introduce the Lipschitz continuity, a well-defined functional property, as the rigorous criteria to define the model robustness for BNN. We then propose to ret…
Korea Advanced Institute of Science and Technology（韩国高等科学技术研究院）
Deep neural networks have shown remarkable performance across a wide range of vision-based tasks, particularly due to the availability of large-scale datasets for training and better architectures. However, data seen in the real world are often affected by distortions that not accounted for by the training datasets. In this paper, we address the challenge of robustness and stability of neural networks and propose a general training method that can be used to make the existing neural network architectures more robust and stable to input visual perturbations while using only available datasets f…
Cornell University（康奈尔大学）；Simons Institute for the Theory of Computing（西蒙斯理论计算研究所）；DIMACS/Simons Collaboration on Bridging Continuous and Discrete Optimization（DIMACS/西蒙斯连续与离散优化桥接合作项目）
We extend the classic convergence rate theory for subgradient methods to apply to non-Lipschitz functions. For the deterministic projected subgradient method, we present a global $O(1/\sqrt{T})$ convergence rate for any convex function which is locally Lipschitz around its minimizers. This approach is based on Shor's classic subgradient analysis and implies generalizations of the standard convergence rates for gradient descent on functions with Lipschitz or Hölder continuous gradients. Further, we show a $O(1/\sqrt{T})$ convergence rate for the stochastic projected subgradient method on convex…
Attention based neural networks are state of the art in a large range of applications. However, their performance tends to degrade when the number of layers increases. In this work, we show that enforcing Lipschitz continuity by normalizing the attention scores can significantly improve the performance of deep attention models. First, we show that, for deep graph attention networks (GAT), gradient explosion appears during training, leading to poor performance of gradient-based training algorithms. To address this issue, we derive a theoretical analysis of the Lipschitz continuity of attention …
Stochastic gradient algorithms are often unstable when applied to functions that do not have Lipschitz-continuous and/or bounded gradients. Gradient clipping is a simple and effective technique to stabilize the training process for problems that are prone to the exploding gradient problem. Despite its widespread popularity, the convergence properties of the gradient clipping heuristic are poorly understood, especially for stochastic problems. This paper establishes both qualitative and quantitative convergence results of the clipped stochastic (sub)gradient method (SGD) for non-smooth convex f…
